(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane

C11H19FO2 — CID 145071287

IUPAC(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane
SMILESC/C=C/O[C@@H]1C(CC)O[C@@H](C)[C@]1(C)F
InChIInChI=1S/C11H19FO2/c1-5-7-13-10-9(6-2)14-8(3)11(10,4)12/h5,7-10H,6H2,1-4H3/b7-5+/t8-,9?,10+,11-/m0/s1
InChIKeyNKKKAKFRKSJRGH-MPULDGLOSA-N
MW202.27 g/mol
LogP2.83
Rot. Bonds3

About (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane

(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane (PubChem CID 145071287) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane.

Molecular Properties

Compound Name(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane
PubChem CID145071287
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane
SMILESC/C=C/O[C@@H]1C(CC)O[C@@H](C)[C@]1(C)F
InChIInChI=1S/C11H19FO2/c1-5-7-13-10-9(6-2)14-8(3)11(10,4)12/h5,7-10H,6H2,1-4H3/b7-5+/t8-,9?,10+,11-/m0/s1
InChIKeyNKKKAKFRKSJRGH-MPULDGLOSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4R)-5-ethyl-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolan-3-ol
CID 145071313
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603384

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane?
The IUPAC name of (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane (CID 145071287) is (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane.
What is the SMILES notation for (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane?
The canonical SMILES for (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane is C/C=C/O[C@@H]1C(CC)O[C@@H](C)[C@]1(C)F.
What is the InChIKey of (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane?
The InChIKey is NKKKAKFRKSJRGH-MPULDGLOSA-N. The full InChI is InChI=1S/C11H19FO2/c1-5-7-13-10-9(6-2)14-8(3)11(10,4)12/h5,7-10H,6H2,1-4H3/b7-5+/t8-,9?,10+,11-/m0/s1.
What are the key properties of (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane?
(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane has a molecular weight of 202.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane is sourced from PubChem (CID 145071287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).